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Nitriles, nitro and azo compounds

Erucin

Also known as 1-isothiocyanato-4-methylsulfanylbutane, 4-(Methylthio)butyl isothiocyanate, 1-isothiocyanato-4-(methylsulfanyl)butane

CAS 4430-36-8Formula C6H11NS2Molar mass 161.30 g/molEC 630-604-5
GHS signal word: Danger. Pictograms: Corrosive 3 suppliers listed
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Erucin chemical structure, C6H11NS2, CAS 4430-36-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4430-36-8
Formula
C6H11NS2
Molar mass
161.30 g/mol
EC number
630-604-5
HS code
293090
Category
Nitriles, nitro and azo compounds

What is Erucin?

Plain description, key identifiers and synonyms

Erucin is an isothiocyanate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-isothiocyanato-4-methylsulfanylbutane
CAS number
4430-36-8 CAS number cross-checked
EC number
630-604-5
Molecular formula
C6H11NS2
UNII
CTE370DL3U
MDL number
MFCD01656048
InChIKey
IHQDGXUYTSZGOG-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
SMILES (canonical and isomeric)
CSCCCCN=C=S

Synonyms

  • 1-isothiocyanato-4-methylsulfanylbutane
  • 4-(Methylthio)butyl isothiocyanate
  • 1-isothiocyanato-4-(methylsulfanyl)butane
  • Butane, 1-isothiocyanato-4-(methylthio)-
  • 4-methylthiobutyl isothiocyanate
  • 4-(Methylthiol)-1-(isothiocyanato)butane
  • (4-isothiocyanatobutyl)(methyl)sulfane
  • erucin, 1-isothiocyanato-4-(methylthio)butane
  • Isothiocyanic acid, 4-(methylthio)butyl ester
  • 4-methyl thiobutyl isothiocyanate
  • 1-isothiocyanato-4-methylthiobutane
  • 4-Methylsulfanyl-butyl isothiocyanate
  • 1-isothiocyanato-4-methylsulanylbutane
  • 1-isothiocyanato-4-methylsulfanyl-butane
  • Erucin (4-(Methylthiol)-1-(Isothiocyanato)butane)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
161.30 g/molcalc.
Exact mass
161.0333 Dacalc.
LogP (octanol/water)
2.23calc.
Topological polar surface area
12.36 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive

Hazard statements

  • H314Causes severe skin burns and eye damage.
  • H318Causes serious eye damage.
Precautionary statements (14)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P363Wash contaminated clothing before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Erucin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 3 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

3 suppliers in 2 countries

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Erucin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Functional uses

  • Flavouring and nutrient

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Erucin is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Erucin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Erucin, based on the data on this page

What is Erucin?

Erucin is an isothiocyanate.

What is the CAS number of Erucin?

The CAS registry number of Erucin is 4430-36-8.

What is the molecular formula and weight of Erucin?

The molecular formula of Erucin is C6H11NS2 and its molar mass is 161.30 g/mol.

What is Erucin used for?

Known uses and roles of Erucin include building blocks in research and laboratory and flavouring and nutrient.

Is Erucin hazardous?

Erucin carries the GHS signal word "Danger". Main hazards: causes severe skin burns and eye damage, causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Erucin?

Erucin is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Erucin?

CompoundList lists 3 suppliers of Erucin in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Erucin?

Suppliers quote Erucin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Erucin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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